7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol

C23H21N3O2 — CID 16644263

IUPAC7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
SMILESCCOc1ccc(NC(c2ccncc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C23H21N3O2/c1-2-28-19-8-6-18(7-9-19)26-21(17-11-14-24-15-12-17)20-10-5-16-4-3-13-25-22(16)23(20)27/h3-15,21,26-27H,2H2,1H3
InChIKeyUFYNCPVACGOUTB-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.94
Rot. Bonds6

About 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol

7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol (PubChem CID 16644263) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
PubChem CID16644263
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
SMILESCCOc1ccc(NC(c2ccncc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C23H21N3O2/c1-2-28-19-8-6-18(7-9-19)26-21(17-11-14-24-15-12-17)20-10-5-16-4-3-13-25-22(16)23(20)27/h3-15,21,26-27H,2H2,1H3
InChIKeyUFYNCPVACGOUTB-UHFFFAOYSA-N
XLogP4.94
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821
7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1185890
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19233207
butyl 3-[[(8-hydroxyquinolin-7-yl)-pyridin-4-ylmethyl]amino]benzoate
CID 19232971
ethyl 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]benzoate
CID 23851621
7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
CID 19260796
7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
CID 19233022
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 19233215
ethyl 4-[[(8-hydroxyquinolin-7-yl)-(4-nitrophenyl)methyl]amino]benzoate
CID 67126854
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 35026479
4-[[(4-bromophenyl)-(8-hydroxyquinolin-7-yl)methyl]amino]benzoic acid
CID 127041093

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol (CID 16644263) is 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol is CCOc1ccc(NC(c2ccncc2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The InChIKey is UFYNCPVACGOUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-28-19-8-6-18(7-9-19)26-21(17-11-14-24-15-12-17)20-10-5-16-4-3-13-25-22(16)23(20)27/h3-15,21,26-27H,2H2,1H3.
What are the key properties of 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol has a molecular weight of 371.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 16644263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).